Optimised PDB entry 1al6



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 104.430 Åb: 78.480 Åc: 58.450 Å
α: 90.00°β: 78.89°γ: 90.00°
Resolution1.85 Å

Experimental data
ReflectionsAll: 40735Test set: 0 (0.0%)
Resolution range23.15 Å1.72 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.15700.22350.15520.1512
R-freeNA0.21940.17680.1749
σR-free 0.00500.00400.0040
Z(R-free) 9.542.171.45

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.623-1.385-0.651
2nd generation packing quality1-1.054-1.166-0.487
Ramachandran plot appearance1-0.9780.0400.109
Chi-1/Chi-2 rotamer normality1-5.283-2.628-1.591
Backbone conformation1-1.160-1.120-1.144
Bond length RMS Z-score20.8170.4570.441
Bond angle RMS Z-score21.0780.6800.670
Total number of bumps350119
Unsatisfied H-bond donors/acceptors3222018
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues49
Significantly deteriorated residues1
Changes of all residuesPlot

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